Converting conformational changes to electrostatic energy in molecular motors: The energetics of ATP synthase
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Torque, chemistry and efficiency in molecular motors: a study of the rotary-chemical coupling in F1-ATPaseOn possible pitfalls in ab initio quantum mechanics/molecular mechanics minimization approaches for studies of enzymatic reactionsComputer simulations of protein functions: searching for the molecular origin of the replication fidelity of DNA polymerasesSimulating the electrostatic guidance of the vectorial translocations in hexameric helicases and translocases.A computational analysis of ATP binding of SV40 large tumor antigen helicase motor.Substrate and docking interactions in serine/threonine protein kinasesATP hydrolysis in the betaTP and betaDP catalytic sites of F1-ATPase.Double-lock ratchet mechanism revealing the role of alphaSER-344 in FoF1 ATP synthase.Zooming in on ATP hydrolysis in F1.Parametrization of DFTB3/3OB for magnesium and zinc for chemical and biological applicationsConverting structural information into an allosteric-energy-based picture for elongation factor Tu activation by the ribosome.Domain motion of individual F1-ATPase β-subunits during unbiased molecular dynamics simulations.Catalysis by dihydrofolate reductase and other enzymes arises from electrostatic preorganization, not conformational motions.Electrostatic origin of the mechanochemical rotary mechanism and the catalytic dwell of F1-ATPase.Brønsted slopes based on single-molecule imaging data help to unveil the chemically coupled rotation in F1-ATPase.Conformational consequences of ionization of Lys, Asp, and Glu buried at position 66 in staphylococcal nucleaseIdentification of the betaTP site in the x-ray structure of F1-ATPase as the high-affinity catalytic site.Rate of hydrolysis in ATP synthase is fine-tuned by α-subunit motif controlling active site conformation.Progress in ab initio QM/MM free-energy simulations of electrostatic energies in proteins: accelerated QM/MM studies of pKa, redox reactions and solvation free energiesBiomolecular simulation and modelling: status, progress and prospects.Quantitative exploration of the molecular origin of the activation of GTPase.Relationship of Leffler (Bronsted) alpha values and protein folding Phi values to position of transition-state structures on reaction coordinates.Why nature really chose phosphate.How valence bond theory can help you understand your (bio)chemical reaction.The FOF1 ATP synthase: from atomistic three-dimensional structure to the rotary-chemical function.The energetics of the primary proton transfer in bacteriorhodopsin revisited: it is a sequential light-induced charge separation after allHyperconjugation-mediated solvent effects in phosphoanhydride bonds.A binding free energy decomposition approach for accurate calculations of the fidelity of DNA polymerases.Modeling catalytic promiscuity in the alkaline phosphatase superfamily.Methyltransferases do not work by compression, cratic, or desolvation effects, but by electrostatic preorganization.Addressing open questions about phosphate hydrolysis pathways by careful free energy mapping.Comparing the catalytic strategy of ATP hydrolysis in biomolecular motors.Ammonium scanning in an enzyme active site. The chiral specificity of aspartyl-tRNA synthetase.A quantum mechanical computational method for modeling electrostatic and solvation effects of protein.Molecular Mechanism of ATP Hydrolysis in an ABC Transporter
P2860
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P2860
Converting conformational changes to electrostatic energy in molecular motors: The energetics of ATP synthase
description
2003 nî lūn-bûn
@nan
2003 թուականի Դեկտեմբերին հրատարակուած գիտական յօդուած
@hyw
2003 թվականի դեկտեմբերին հրատարակված գիտական հոդված
@hy
2003年の論文
@ja
2003年論文
@yue
2003年論文
@zh-hant
2003年論文
@zh-hk
2003年論文
@zh-mo
2003年論文
@zh-tw
2003年论文
@wuu
name
Converting conformational chan ...... The energetics of ATP synthase
@ast
Converting conformational chan ...... The energetics of ATP synthase
@en
type
label
Converting conformational chan ...... The energetics of ATP synthase
@ast
Converting conformational chan ...... The energetics of ATP synthase
@en
prefLabel
Converting conformational chan ...... The energetics of ATP synthase
@ast
Converting conformational chan ...... The energetics of ATP synthase
@en
P2860
P356
P1476
Converting conformational chan ...... The energetics of ATP synthase
@en
P2093
Avital Shurki
Marek Strajbl
P2860
P304
14834-14839
P356
10.1073/PNAS.2436328100
P407
P577
2003-12-01T00:00:00Z